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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-33593
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Mo', 'Pd', 'H', 'N', 'O']
  • Chemical System: H-Mo-N-O-Pd
  • Density: 2.5644497117969025
  • Atomic Density: 0.10157761963830658
  • Unit Cell Volume: 433.1662836427295
  • Molar Volume: 5.9286098467786426
  • Full Formula: Mo2 Pd2 H24 N8 O8
  • Reduced Formula: MoH12Pd(NO)4
  • Formula Anonymous: ABC4D4E12
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm